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Structure paper

TitleDiscovery of potent inhibitors of the lysophospholipase autotaxin.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 26, Page 5403-5410, Year 2016
Publish dateJul 14, 2016 (structure data deposition date)
AuthorsShah, P. / Cheasty, A. / Foxton, C. / Raynham, T. / Farooq, M. / Gutierrez, I.F. / Lejeune, A. / Pritchard, M. / Turnbull, A. / Pang, L. ...Shah, P. / Cheasty, A. / Foxton, C. / Raynham, T. / Farooq, M. / Gutierrez, I.F. / Lejeune, A. / Pritchard, M. / Turnbull, A. / Pang, L. / Owen, P. / Boyd, S. / Stowell, A. / Jordan, A. / Hamilton, N.M. / Hitchin, J.R. / Stockley, M. / MacDonald, E. / Quesada, M.J. / Trivier, E. / Skeete, J. / Ovaa, H. / Moolenaar, W.H. / Ryder, H.
External linksBioorg. Med. Chem. Lett. / PubMed:27780639
MethodsX-ray diffraction
Resolution1.92 Å
Structure data

PDB-5lia:
Crystal structure of murine autotaxin in complex with a small molecule inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.92 Å

Chemicals

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-6XN:
~{N}-[(1~{S})-1-(4-chlorophenyl)ethyl]-3-[3-[[4-(trifluoromethyloxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide

ChemComp-ZN:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-CA:
Unknown entry

ChemComp-NA:
Unknown entry

ChemComp-K:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

Source
  • mus musculus (house mouse)
KeywordsHYDROLASE / LYSOPHOSPHOLIPASE D / AUTOTAXIN / ENPP2

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